CID 391453

Nsc690657

Structural Information

Molecular Formula
C19H25N3O5
SMILES
C1COCCN1CCN2C3=C(C=C(C=C3)C(=O)CN4CCOCC4)OC2=O
InChI
InChI=1S/C19H25N3O5/c23-17(14-21-7-11-26-12-8-21)15-1-2-16-18(13-15)27-19(24)22(16)4-3-20-5-9-25-10-6-20/h1-2,13H,3-12,14H2
InChIKey
MMXXGWXDMPFTDX-UHFFFAOYSA-N
Compound name
6-(2-morpholin-4-ylacetyl)-3-(2-morpholin-4-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1794 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18668 188.2
[M+Na]+ 398.16862 192.8
[M-H]- 374.17212 195.3
[M+NH4]+ 393.21322 193.6
[M+K]+ 414.14256 192.1
[M+H-H2O]+ 358.17666 177.3
[M+HCOO]- 420.17760 198.7
[M+CH3COO]- 434.19325 196.3
[M+Na-2H]- 396.15407 188.6
[M]+ 375.17885 188.1
[M]- 375.17995 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.